Reviews In Computational Chemistry, Volume 31 Hardcover

Abby L. Parrill

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

1119518024

9781119518020

English

Wiley-Blackwell

23-Oct-2018

352

ABBY L. PARRILL, Ph.D., is a Professor in the Department of Chemistry at the University of Memphis, TN. Her research interests are in bioorganic chemistry, protein modeling, and rational ligand design and synthesis. KENNY B. LIPKOWITZ, Ph.D., was one of the founding co-editors of Reviews in Computational Chemistry. He spent 28 years as an academician and then moved to the Office of Naval Research where he is a Program Manager in Computer-Aided Materials Design.